Plasma engineered Hydroxyl Defects in NiO a DFTSupported-Spectroscopic Analysis of Oxygen Hole States and Implications for Water Oxidation

Harol Moreno Fernandez, Mohammad Amirabbasi, Crizaldo Jr. Mempin +8

Controlling lattice oxygen reactivity in earth abundant OER catalysts requires precise tuning of defect chemistry in the oxide lattice. Here, we combine DFT+U calculations with pla…